1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene

C118H160 — CID 164992801

IUPAC1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene
SMILESCc1cc(-c2c(C(C)C)cccc2C(C)C)cc(C(C)(C)C)c1C.Cc1cc(-c2c(C)cccc2C)cc(C(C)(C)C)c1C.Cc1cc(-c2ccccc2C(C)(C)C)cc(C(C)(C)C)c1C.Cc1cc(-c2ccccc2C(C)C)cc(C(C)(C)C)c1C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccccc1-c1cc(C)c(C)c(C(C)(C)C)c1
InChIInChI=1S/C24H34.C22H30.C21H28.C20H26.C19H24.C12H18/c1-15(2)20-11-10-12-21(16(3)4)23(20)19-13-17(5)18(6)22(14-19)24(7,8)9;1-15-13-17(14-20(16(15)2)22(6,7)8)18-11-9-10-12-19(18)21(3,4)5;1-14(2)18-10-8-9-11-19(18)17-12-15(3)16(4)20(13-17)21(5,6)7;1-13-9-8-10-14(2)19(13)17-11-15(3)16(4)18(12-17)20(5,6)7;1-13-9-7-8-10-17(13)16-11-14(2)15(3)18(12-16)19(4,5)6;1-9-6-7-11(10(2)8-9)12(3,4)5/h10-16H,1-9H3;9-14H,1-8H3;8-14H,1-7H3;8-12H,1-7H3;7-12H,1-6H3;6-8H,1-5H3
InChIKeyHCKHWZMMMAGCLI-UHFFFAOYSA-N
MW1578.58 g/mol
LogP35.53
Rot. Bonds8

About 1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene

1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene (PubChem CID 164992801) has the molecular formula C118H160 and a molecular weight of 1578.58 g/mol. Its IUPAC name is 1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene
PubChem CID164992801
Molecular FormulaC118H160
Molecular Weight1578.58 g/mol
Exact Mass1577.25
IUPAC Name1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene
SMILESCc1cc(-c2c(C(C)C)cccc2C(C)C)cc(C(C)(C)C)c1C.Cc1cc(-c2c(C)cccc2C)cc(C(C)(C)C)c1C.Cc1cc(-c2ccccc2C(C)(C)C)cc(C(C)(C)C)c1C.Cc1cc(-c2ccccc2C(C)C)cc(C(C)(C)C)c1C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccccc1-c1cc(C)c(C)c(C(C)(C)C)c1
InChIInChI=1S/C24H34.C22H30.C21H28.C20H26.C19H24.C12H18/c1-15(2)20-11-10-12-21(16(3)4)23(20)19-13-17(5)18(6)22(14-19)24(7,8)9;1-15-13-17(14-20(16(15)2)22(6,7)8)18-11-9-10-12-19(18)21(3,4)5;1-14(2)18-10-8-9-11-19(18)17-12-15(3)16(4)20(13-17)21(5,6)7;1-13-9-8-10-14(2)19(13)17-11-15(3)16(4)18(12-17)20(5,6)7;1-13-9-7-8-10-17(13)16-11-14(2)15(3)18(12-16)19(4,5)6;1-9-6-7-11(10(2)8-9)12(3,4)5/h10-16H,1-9H3;9-14H,1-8H3;8-14H,1-7H3;8-12H,1-7H3;7-12H,1-6H3;6-8H,1-5H3
InChIKeyHCKHWZMMMAGCLI-UHFFFAOYSA-N
XLogP35.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001578.58
LogP ≤ 535.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene with MolForge

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Related Compounds

tris(1-tert-butyl-2,4-dimethylbenzene);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene;tris(1,2-xylene)
CID 162034169
5,24-bis(2-tert-butylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis(2,6-dimethylphenyl)-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;5,24-bis[2,6-di(propan-2-yl)phenyl]-13,18,32,37-tetramethyl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-methylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(3-phenylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2-propan-2-ylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetramethyl-5,24-bis(2,4,6-trimethylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene
CID 158312803
2-methyl-6-(2-phenyl-3-propan-2-ylphenyl)naphthalene
CID 123434342
1-tert-butyl-2-(4-propan-2-ylphenyl)benzene
CID 58258601
2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol
CID 100914371
1,3-ditert-butyl-2-(2,5-dimethylphenyl)benzene
CID 173061773
2-methyl-4-(2-propan-2-ylphenyl)phenol
CID 22438316
1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene
CID 165007689
1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1,3-ditert-butyl-2-methylbenzene;1,3-ditert-butyl-5-methylbenzene;1-methyl-3,5-di(propan-2-yl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,3,5-trimethylbenzene
CID 161417547
4-(2-tert-butyl-6-methylphenyl)-2,9-dimethyl-7-(2-methyl-6-propan-2-ylphenyl)-1,10-phenanthroline
CID 118927448
5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene
CID 177292062
4-(2-propan-2-ylphenyl)-2-(trifluoromethyl)aniline
CID 175663849

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene?
The IUPAC name of 1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene (CID 164992801) is 1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene?
The canonical SMILES for 1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene is Cc1cc(-c2c(C(C)C)cccc2C(C)C)cc(C(C)(C)C)c1C.Cc1cc(-c2c(C)cccc2C)cc(C(C)(C)C)c1C.Cc1cc(-c2ccccc2C(C)(C)C)cc(C(C)(C)C)c1C.Cc1cc(-c2ccccc2C(C)C)cc(C(C)(C)C)c1C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccccc1-c1cc(C)c(C)c(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene?
The InChIKey is HCKHWZMMMAGCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34.C22H30.C21H28.C20H26.C19H24.C12H18/c1-15(2)20-11-10-12-21(16(3)4)23(20)19-13-17(5)18(6)22(14-19)24(7,8)9;1-15-13-17(14-20(16(15)2)22(6,7)8)18-11-9-10-12-19(18)21(3,4)5;1-14(2)18-10-8-9-11-19(18)17-12-15(3)16(4)20(13-17)21(5,6)7;1-13-9-8-10-14(2)19(13)17-11-15(3)16(4)18(12-17)20(5,6)7;1-13-9-7-8-10-17(13)16-11-14(2)15(3)18(12-16)19(4,5)6;1-9-6-7-11(10(2)8-9)12(3,4)5/h10-16H,1-9H3;9-14H,1-8H3;8-14H,1-7H3;8-12H,1-7H3;7-12H,1-6H3;6-8H,1-5H3.
What are the key properties of 1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene?
1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene has a molecular weight of 1578.58 g/mol, XLogP of 35.53, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(2-tert-butylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-methylphenyl)benzene;1-tert-butyl-5-(2,6-dimethylphenyl)-2,3-dimethylbenzene;1-tert-butyl-2,3-dimethyl-5-(2-propan-2-ylphenyl)benzene;1-tert-butyl-5-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzene is sourced from PubChem (CID 164992801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).